Return to Results Pentalenolactone
CAS Registry Number®
31501-48-1
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CAS Name
PentalenolactoneMolecular Formula
C15H16O5Molecular Mass
276.28Cite this Page
Pentalenolactone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=31501-48-1 (retrieved ) (CAS RN: 31501-48-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3-4,8,10-11H,5-6H2,1-2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1
InChIKey
InChIKey=NUPNVWUYFVEAIT-UJJBCWTCSA-N
SMILES
O=C1[C@@]2([C@@]34[C@](C(C(O)=O)=C[C@@]3([C@H](C)C(C)=C4)[H])(CO1)[H])CO2
Canonical SMILES
O=C(O)C1=CC2C(C(=CC23C1COC(=O)C43OC4)C)C
Other Names for this Substance
- Spiro[oxirane-2,1′(2′H)-pentaleno[1,6a-c]pyran]-5′-carboxylic acid, 4′,4′a,6′a,7′-tetrahydro-7′,8′-dimethyl-2′-oxo-, (1′R,4′aR,6′aR,7′S,9′aS)-
- Spiro[oxirane-2,1′(2′H)-pentaleno[1,6a-c]pyran]-5′-carboxylic acid, 4′,4′a,6′a,7′-tetrahydro-7′,8′-dimethyl-2′-oxo-, [1′R-(1′α,4′aα,6′aβ,7′α,9′aS*)]-
- (1′R,4′aR,6′aR,7′S,9′aS)-4′,4′a,6′a,7′-Tetrahydro-7′,8′-dimethyl-2′-oxospiro[oxirane-2,1′(2′H)-pentaleno[1,6a-c]pyran]-5′-carboxylic acid
- Pentalenolactone
- PA 132
Deleted or Replaced CAS Registry Numbers
23971-33-7, 24381-63-3, 37306-87-9
